SCHEMBL822397

SCHEMBL822397

Cc1cccc(C(O)(c2cccc(C)c2)[C@@H](NCCCN[C@@H](c2cccc3ccccc23)C(O)(c2cccc(C)c2)c2cccc(C)c2)c2cccc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.46
SLC6A2 P23975 3/20 0.46
OPRM1 P35372 3/20 0.46
ADRA2C P18825 2/20 0.46
HTR2C P28335 2/20 0.46
DRD3 P35462 2/20 0.46
CASR P41180 2/20 0.46
HTT P42858 2/20 0.46
MLNR O43193 1/20 0.46
ABCB11 O95342 1/20 0.46
ADRB1 P08588 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
CHRM3 P20309 1/20 0.46
GLRA1 P23415 1/20 0.46
AVPR2 P30518 1/20 0.46
HRH1 P35367 1/20 0.46
MC3R P41968 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL821601 0.88 SLC6A4 (0.42) SLC6A4SLC6A2OPRM1ADRA2CHTR2C
SCHEMBL2837002 0.84 SLC6A4 (0.37) SLC6A4SLC6A2OPRM1ADRA2CHTR2C
SCHEMBL822306 0.82 SLC6A4 (0.36) SLC6A4SLC6A2OPRM1ADRA2CHTR2C
SCHEMBL808763 0.79 LMNA (0.39) HTTLMNAMEN1ALDH1A1MAPT
SCHEMBL808533 0.79 LMNA (0.42) HTTLMNAMEN1ALDH1A1MAPT
SCHEMBL808894 0.79 KIF11 (0.39) HTTCYP2D6KCNH2SIGMAR1LMNA
SCHEMBL808895 0.79 KIF11 (0.39) HTTCYP2D6KCNH2SIGMAR1LMNA
SCHEMBL809108 0.78 HDAC3 (0.42) SLC6A4SLC6A2OPRM1ADRA2CHTR2C
SCHEMBL808666 0.76 ALDH1A1 (0.37) HTTLMNAMEN1ALDH1A1MAPT
SCHEMBL808612 0.75 ALDH1A1 (0.36) HTTLMNAMEN1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
US-7683215-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-23 US disclosed
US-7671213-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-7288674-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-30 US disclosed
US-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-06 US disclosed
EP-1593674-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-11-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof ACSL3, ADSL, SQLE SLC6A4 4576/4885SLC6A2 4835/4885OPRM1 996/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE SLC6A4 4576/4885SLC6A2 4835/4885OPRM1 996/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE SLC6A4 4576/4885SLC6A2 4835/4885OPRM1 996/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.